The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
N-(4-(5-chlorobenzoxazole-2-yl)phenyl)-2-(4-(2-(dimethylamino)ethyl)piperazine-1-yl)acetamide ID: ALA4764570
Chembl Id: CHEMBL4764570
PubChem CID: 162660813
Max Phase: Preclinical
Molecular Formula: C23H28ClN5O2
Molecular Weight: 441.96
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: CN(C)CCN1CCN(CC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)CC1
Standard InChI: InChI=1S/C23H28ClN5O2/c1-27(2)9-10-28-11-13-29(14-12-28)16-22(30)25-19-6-3-17(4-7-19)23-26-20-15-18(24)5-8-21(20)31-23/h3-8,15H,9-14,16H2,1-2H3,(H,25,30)
Standard InChI Key: ISLSIDOVMYQMKU-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 441.96Molecular Weight (Monoisotopic): 441.1932AlogP: 3.27#Rotatable Bonds: 7Polar Surface Area: 64.85Molecular Species: BASEHBA: 6HBD: 1#RO5 Violations: ┄HBA (Lipinski): 7HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 12.97CX Basic pKa: 8.72CX LogP: 2.94CX LogD: 1.60Aromatic Rings: 3Heavy Atoms: 31QED Weighted: 0.61Np Likeness Score: -2.13
References 1. Osmaniye D,Korkut Çelikateş B,Sağlık BN,Levent S,Acar Çevik U,Kaya Çavuşoğlu B,Ilgın S,Özkay Y,Kaplancıklı ZA. (2021) Synthesis of some new benzoxazole derivatives and investigation of their anticancer activities., 210 [PMID:33183865 ] [10.1016/j.ejmech.2020.112979 ]